N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazole-4-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazole-4-carboxamide Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3/c24-20(16-10-22-23(13-16)12-15-6-2-1-3-7-15)21-11-17-14-25-18-8-4-5-9-19(18)26-17/h1-10,13,17H,11-12,14H2,(H,21,24)/t17-/m0/s1